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Title: Materials Data on SnHgP14 by Materials Project

Abstract

HgSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a trigonal pyramidal geometry to four P+0.29- atoms. There are a spread of Hg–P bond distances ranging from 2.59–2.77 Å. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.97 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.22–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra. Both P–P bond lengths are 2.21 Å. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.25 Å. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There aremore » one shorter (2.20 Å) and two longer (2.22 Å) P–P bond lengths. In the sixth P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra. In the seventh P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. In the eighth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. In the ninth P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-16403
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnHgP14; Hg-P-Sn
OSTI Identifier:
1191855
DOI:
10.17188/1191855

Citation Formats

The Materials Project. Materials Data on SnHgP14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191855.
The Materials Project. Materials Data on SnHgP14 by Materials Project. United States. doi:10.17188/1191855.
The Materials Project. 2020. "Materials Data on SnHgP14 by Materials Project". United States. doi:10.17188/1191855. https://www.osti.gov/servlets/purl/1191855. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1191855,
title = {Materials Data on SnHgP14 by Materials Project},
author = {The Materials Project},
abstractNote = {HgSnP14 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a trigonal pyramidal geometry to four P+0.29- atoms. There are a spread of Hg–P bond distances ranging from 2.59–2.77 Å. Sn2+ is bonded in a distorted square co-planar geometry to four P+0.29- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.97 Å. There are nine inequivalent P+0.29- sites. In the first P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are a spread of P–P bond distances ranging from 2.22–2.30 Å. In the second P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra. Both P–P bond lengths are 2.21 Å. In the third P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) P–P bond lengths. In the fourth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. The P–P bond length is 2.25 Å. In the fifth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. There are one shorter (2.20 Å) and two longer (2.22 Å) P–P bond lengths. In the sixth P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra. In the seventh P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. In the eighth P+0.29- site, P+0.29- is bonded in a trigonal non-coplanar geometry to three P+0.29- atoms. In the ninth P+0.29- site, P+0.29- is bonded to one Hg2+, one Sn2+, and two equivalent P+0.29- atoms to form corner-sharing PSnHgP2 tetrahedra.},
doi = {10.17188/1191855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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